SCHEMBL5311573

SCHEMBL5311573

O=C1N=C(F)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
CES1 P23141 2/20 0.47
BCHE P06276 1/20 0.47
TDP2 O95551 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAP3K14 Q99558 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
RNASEH1 O60930 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 2/20 0.39
MIF P14174 2/20 0.38
MAOB P27338 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TLR9 Q9NR96 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4000976 0.78 MAOA (0.48) MAOACES1BCHETDP2CASP3
SCHEMBL1818127 0.78 MAOA (0.48) MAOACES1BCHETDP2CASP3
SCHEMBL670717 0.78 MAOA (0.48) MAOACES1BCHETDP2CASP3
SCHEMBL1449448 0.78 MAOA (0.48) MAOACES1BCHETDP2CASP3
SCHEMBL7710688 0.77 MAOA (0.44) MAOACES1BCHETDP2CASP3
SCHEMBL7476251 0.75 MAOA (0.45) MAOACES1BCHETDP2CASP3
SCHEMBL5214053 0.73 HTR2A (0.44) MAOACES1BCHECASP3CASP6
SCHEMBL3931606 0.73 SRD5A2 (0.45) MAOACES1BCHETDP2CASP3
SCHEMBL7716195 0.73 MAOA (0.44) MAOACES1BCHETDP2CASP3
SCHEMBL6046310 0.73 MAOA (0.44) MAOACES1BCHETDP2CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574056-A Preparation method of fluoroisoquinolone compound 五邑大学 2023-08-11 CN claimed
CN-116574056-A Preparation method of fluoroisoquinolone compound 五邑大学 2023-08-11 CN disclosed
CN-116574056-A Preparation method of fluoroisoquinolone compound 五邑大学 2023-08-11 CN disclosed
WO-2007053352-A2 PYRROLOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C MAOA 182/4885CES1 2838/4885BCHE 1070/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.